N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide

C21H26FN5O — CID 133306197

IUPACN-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1
InChIInChI=1S/C21H26FN5O/c1-4-15(3)25-19(28)13-26-5-7-27(8-6-26)21-16(11-23)12-24-20-14(2)9-17(22)10-18(20)21/h9-10,12,15H,4-8,13H2,1-3H3,(H,25,28)
InChIKeyPCWNJFQHFDDZRV-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.59
Rot. Bonds5

About N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide (PubChem CID 133306197) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide
PubChem CID133306197
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC NameN-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1
InChIInChI=1S/C21H26FN5O/c1-4-15(3)25-19(28)13-26-5-7-27(8-6-26)21-16(11-23)12-24-20-14(2)9-17(22)10-18(20)21/h9-10,12,15H,4-8,13H2,1-3H3,(H,25,28)
InChIKeyPCWNJFQHFDDZRV-UHFFFAOYSA-N
XLogP2.59
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide with MolForge

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Related Compounds

2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 133316669
6-fluoro-4-[4-(2-methoxyacetyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133318000
6-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133310198
4-(4-but-3-ynylpiperazin-1-yl)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133453787
2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide
CID 133318098
6-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133316889
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 127358888
6-fluoro-4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-8-methylquinoline-3-carbonitrile
CID 133306222
6-fluoro-4-[4-(3-methoxybenzoyl)piperazin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133316583
6-fluoro-8-methyl-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]quinoline-3-carbonitrile
CID 133310553
6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
CID 133397912
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 133386277

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide (CID 133306197) is N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(c2c(C#N)cnc3c(C)cc(F)cc23)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is PCWNJFQHFDDZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-4-15(3)25-19(28)13-26-5-7-27(8-6-26)21-16(11-23)12-24-20-14(2)9-17(22)10-18(20)21/h9-10,12,15H,4-8,13H2,1-3H3,(H,25,28).
What are the key properties of N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133306197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).